#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j0q n VAL 4 N 0.00 0.00 0.00 0.00 0.31 -1.26 -3.72 118.33 113.66 1j0q n VAL 4 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1j0q n VAL 4 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1j0q n VAL 4 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1j0q n LYS 5 N 10.10 0.00 -1.01 5.55 4.81 -1.26 -5.15 118.16 131.20 1j0q n LYS 5 Ca 0.00 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.52 1j0q n LYS 5 Cb 0.00 -0.55 -0.04 0.00 0.02 0.00 0.00 35.03 34.45 1j0q n LYS 5 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1j0q n TYR 6 N -2.62 -2.73 -3.68 5.64 4.01 -1.24 -5.00 117.16 111.54 1j0q n TYR 6 Ca 0.00 1.50 -0.11 0.00 -0.16 0.00 0.00 57.90 59.13 1j0q n TYR 6 Cb 0.36 -2.47 -0.11 0.00 -0.31 0.00 0.00 39.34 36.81 1j0q n TYR 6 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1j0q s TYR 7 N -4.25 -0.60 0.51 -0.72 2.02 -0.14 -4.80 117.35 109.38 1j0q s TYR 7 Ca 0.00 1.24 -0.18 0.00 -0.37 0.00 0.00 57.07 57.76 1j0q s TYR 7 Cb 0.00 0.17 -0.08 0.00 -0.40 0.00 0.00 41.96 41.66 1j0q s TYR 7 CO 0.00 -0.39 1.00 0.95 -1.57 0.00 0.00 175.55 175.54 1j0q s THR 8 N 2.13 4.24 0.26 -0.71 -4.23 -1.26 -0.17 115.64 115.91 1j0q s THR 8 Ca -0.04 1.18 -0.01 0.00 -1.18 0.00 0.00 61.69 61.65 1j0q s THR 8 Cb -0.11 -3.59 0.24 0.00 1.34 0.00 0.00 72.50 70.39 1j0q s THR 8 CO -0.11 -0.51 1.75 0.25 -0.54 0.00 0.00 174.62 175.45 1j0q h LEU 9 N 1.10 0.46 -0.85 4.79 6.46 -1.94 0.12 115.31 125.46 1j0q h LEU 9 Ca -0.48 0.10 0.09 0.00 -0.12 0.00 0.00 57.88 57.48 1j0q h LEU 9 Cb 1.20 0.04 -0.11 0.00 -0.73 0.00 0.00 40.66 41.06 1j0q h LEU 9 CO 0.60 0.17 -0.46 1.21 -0.62 0.00 0.00 178.44 179.34 1j0q n GLU 10 N -4.92 -0.34 0.09 1.25 4.07 -1.26 -0.67 120.64 118.87 1j0q n GLU 10 Ca 0.17 1.29 -0.13 0.00 -0.06 0.00 0.00 57.16 58.43 1j0q n GLU 10 Cb 0.46 -1.89 -0.08 0.00 -0.06 0.00 0.00 31.44 29.86 1j0q n GLU 10 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1j0q h GLU 11 N 0.00 -0.21 -0.49 5.31 4.39 -1.50 -3.30 114.58 118.79 1j0q h GLU 11 Ca 0.17 0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.97 1j0q h GLU 11 Cb 0.38 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 29.01 1j0q h GLU 11 CO -0.81 0.08 0.05 0.82 -1.16 0.00 0.00 179.01 177.99 1j0q h ILE 12 N -0.50 0.67 -0.50 3.13 2.04 0.11 0.10 117.51 122.57 1j0q h ILE 12 Ca -0.02 -0.06 0.08 0.00 1.00 0.00 0.00 64.86 65.86 1j0q h ILE 12 Cb 0.39 0.49 -0.06 0.00 -0.74 0.00 0.00 36.82 36.89 1j0q h ILE 12 CO 0.04 0.03 0.14 1.56 0.00 0.00 0.00 178.15 179.92 1j0q h GLN 13 N 0.17 0.29 -0.49 2.37 4.20 -1.01 -2.48 115.11 118.18 1j0q h GLN 13 Ca 0.25 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.84 1j0q h GLN 13 Cb 0.35 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 1j0q h GLN 13 CO -0.36 0.19 -0.10 -0.22 -0.67 0.00 0.00 178.83 177.67 1j0q h LYS 14 N 0.30 0.89 -4.53 1.46 1.63 -1.12 -3.11 116.57 112.08 1j0q h LYS 14 Ca 0.25 -0.30 -0.64 0.00 -0.85 0.00 0.00 60.65 59.10 1j0q h LYS 14 Cb 0.30 -0.07 0.05 0.00 -0.60 0.00 0.00 32.23 31.92 1j0q h LYS 14 CO -0.29 0.94 2.22 0.72 -3.45 0.00 0.00 179.45 179.59 1j0q n HIS 15 N -4.16 1.80 0.00 1.91 8.25 0.17 -3.81 115.22 119.37 1j0q n HIS 15 Ca 0.02 -1.73 0.00 0.00 -0.26 0.00 0.00 57.72 55.75 1j0q n HIS 15 Cb 0.38 -1.68 0.00 0.00 1.12 0.00 0.00 29.99 29.80 1j0q n HIS 15 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1j0q n ASN 16 N 7.77 0.12 -3.61 0.41 0.23 -1.18 -0.31 115.26 118.70 1j0q n ASN 16 Ca 0.49 -0.22 -0.07 0.00 -0.53 0.00 0.00 54.58 54.26 1j0q n ASN 16 Cb 0.41 0.45 -0.05 0.00 -2.08 0.00 0.00 39.78 38.51 1j0q n ASN 16 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1j0q s ASN 17 N -0.48 -0.25 -1.57 0.53 4.22 -1.25 -4.66 114.94 111.49 1j0q s ASN 17 Ca 0.00 0.31 -0.05 0.00 -2.14 0.00 0.00 52.86 50.98 1j0q s ASN 17 Cb 0.00 0.25 0.05 0.00 1.28 0.00 0.00 41.25 42.83 1j0q s ASN 17 CO 0.00 -0.21 0.28 -1.20 -2.04 0.00 0.00 177.10 173.93 1j0q n SER 18 N 0.82 -0.20 0.00 3.54 7.64 -1.26 -4.31 113.62 119.84 1j0q n SER 18 Ca -0.07 -1.17 0.00 0.00 1.01 0.00 0.00 58.87 58.64 1j0q n SER 18 Cb 0.58 -2.13 0.00 0.00 -1.01 0.00 0.00 64.21 61.65 1j0q n SER 18 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1j0q n LYS 19 N -4.45 0.00 0.00 1.43 3.00 -1.26 -5.07 118.16 111.82 1j0q n LYS 19 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.08 1j0q n LYS 19 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.67 1j0q n LYS 19 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1j0q n SER 20 N -1.60 0.00 -4.67 3.14 2.88 -1.26 -5.00 113.62 107.11 1j0q n SER 20 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 1j0q n SER 20 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1j0q n SER 20 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1j0q s THR 21 N -0.57 4.08 0.25 2.46 2.01 -1.26 -3.86 115.64 118.75 1j0q s THR 21 Ca 0.00 1.36 0.09 0.00 0.31 0.00 0.00 61.69 63.45 1j0q s THR 21 Cb 0.00 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 1j0q s THR 21 CO 0.00 -0.08 0.01 0.26 -0.69 0.00 0.00 174.62 174.11 1j0q s TRP 22 N 3.18 2.73 0.16 4.92 0.52 0.58 -0.17 118.94 130.86 1j0q s TRP 22 Ca 0.59 -0.21 -0.12 0.00 0.02 0.00 0.00 56.10 56.38 1j0q s TRP 22 Cb -0.25 -1.23 0.01 0.00 -1.15 0.00 0.00 33.47 30.84 1j0q s TRP 22 CO 0.20 0.60 0.35 -0.51 0.02 0.00 0.00 176.95 177.61 1j0q s LEU 23 N -3.57 0.72 -0.18 2.99 1.02 0.42 -0.14 118.68 119.93 1j0q s LEU 23 Ca 0.31 -0.67 -0.03 0.00 0.02 0.00 0.00 54.13 53.75 1j0q s LEU 23 Cb -0.07 1.51 -0.01 0.00 0.02 0.00 0.00 46.19 47.63 1j0q s LEU 23 CO 0.20 -0.91 -0.06 -0.63 0.02 0.00 0.00 176.35 174.97 1j0q s ILE 24 N -3.91 3.45 -0.33 -0.59 1.01 -0.29 -1.05 121.20 119.49 1j0q s ILE 24 Ca 0.12 -0.49 -0.00 0.00 0.00 0.00 0.00 60.65 60.27 1j0q s ILE 24 Cb 0.02 -2.53 0.11 0.00 0.01 0.00 0.00 42.46 40.07 1j0q s ILE 24 CO -0.04 0.46 0.12 -0.76 0.00 0.00 0.00 174.94 174.73 1j0q s LEU 25 N 0.94 2.28 -0.70 2.97 1.02 -0.94 -0.45 118.68 123.80 1j0q s LEU 25 Ca -0.01 -1.80 -0.00 0.00 0.02 0.00 0.00 54.13 52.34 1j0q s LEU 25 Cb -0.15 -0.88 -0.00 0.00 0.02 0.00 0.00 46.19 45.18 1j0q s LEU 25 CO 0.01 -0.39 0.59 1.41 0.02 0.00 0.00 176.35 177.98 1j0q n HIS 26 N 4.63 -1.31 0.00 0.29 8.25 -1.26 -3.80 115.22 122.02 1j0q n HIS 26 Ca 0.00 0.55 0.00 0.00 -0.26 0.00 0.00 57.72 58.01 1j0q n HIS 26 Cb 0.41 -3.79 0.00 0.00 1.12 0.00 0.00 29.99 27.73 1j0q n HIS 26 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1j0q n TYR 27 N -2.82 0.00 -1.15 4.41 4.01 -1.26 -4.93 117.16 115.42 1j0q n TYR 27 Ca -0.16 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.24 1j0q n TYR 27 Cb 0.60 0.00 0.10 0.00 -0.31 0.00 0.00 39.34 39.73 1j0q n TYR 27 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1j0q n LYS 28 N 0.00 0.21 -5.08 -0.72 4.76 -1.25 -0.76 118.16 115.32 1j0q n LYS 28 Ca 0.00 0.13 -0.32 0.00 -2.87 0.00 0.00 58.31 55.25 1j0q n LYS 28 Cb 0.00 -2.17 -0.14 0.00 -1.84 0.00 0.00 35.03 30.88 1j0q n LYS 28 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1j0q s VAL 29 N -2.05 2.60 -0.08 -0.18 1.01 -0.03 -2.22 120.40 119.45 1j0q s VAL 29 Ca 0.69 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.79 1j0q s VAL 29 Cb -0.30 -1.98 0.02 0.00 0.00 0.00 0.00 36.38 34.12 1j0q s VAL 29 CO 0.55 0.58 -0.09 -0.31 0.00 0.00 0.00 175.10 175.83 1j0q s TYR 30 N -0.60 1.33 1.13 5.22 1.51 -0.21 -1.45 117.35 124.27 1j0q s TYR 30 Ca 0.09 -0.54 -0.17 0.00 -1.01 0.00 0.00 57.07 55.44 1j0q s TYR 30 Cb -0.11 -1.05 0.25 0.00 -0.11 0.00 0.00 41.96 40.94 1j0q s TYR 30 CO 0.00 -0.35 1.10 0.16 -1.11 0.00 0.00 175.55 175.36 1j0q s ASP 31 N 1.10 1.51 0.00 2.29 -4.77 -1.14 -0.43 116.67 115.23 1j0q s ASP 31 Ca -0.07 0.83 0.00 0.00 -3.30 0.00 0.00 52.55 50.01 1j0q s ASP 31 Cb -0.14 -1.23 0.00 0.00 -1.09 0.00 0.00 42.92 40.45 1j0q s ASP 31 CO -0.01 -3.78 0.00 0.18 0.70 0.00 0.00 175.17 172.26 1j0q n LEU 32 N -4.56 0.00 0.00 2.11 4.77 0.76 -4.78 117.00 115.31 1j0q n LEU 32 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1j0q n LEU 32 Cb 0.59 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.80 1j0q n LEU 32 CO 0.50 -0.39 0.00 0.41 -1.33 0.00 0.00 177.39 176.58 1j0q n THR 33 N -2.17 0.00 0.07 -5.08 -1.04 -1.25 -4.05 114.28 100.76 1j0q n THR 33 Ca 0.00 0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.17 1j0q n THR 33 Cb 0.00 0.00 0.66 0.00 -1.82 0.00 0.00 70.33 69.17 1j0q n THR 33 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1j0q h LYS 34 N 0.00 0.03 0.00 -2.82 3.11 -1.97 -0.04 116.57 114.88 1j0q h LYS 34 Ca 0.00 -0.00 -0.18 0.00 -2.81 0.00 0.00 60.65 57.65 1j0q h LYS 34 Cb 0.00 -0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.20 1j0q h LYS 34 CO 0.00 0.02 -0.88 0.35 -2.81 0.00 0.00 179.45 176.14 1j0q h PHE 35 N 0.03 0.00 -0.91 1.91 3.57 -1.98 -3.30 116.94 116.26 1j0q h PHE 35 Ca 0.18 0.00 0.22 0.00 3.53 0.00 0.00 57.97 61.90 1j0q h PHE 35 Cb 0.67 0.00 -0.12 0.00 2.79 0.00 0.00 35.95 39.29 1j0q h PHE 35 CO -0.00 0.88 0.44 -0.07 -2.23 0.00 0.00 178.31 177.32 1j0q h LEU 36 N 0.00 0.41 -0.55 0.59 3.38 -1.32 0.26 115.31 118.09 1j0q h LEU 36 Ca -0.01 0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.16 1j0q h LEU 36 Cb 1.62 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 42.42 1j0q h LEU 36 CO 0.11 0.04 0.26 -0.08 0.09 0.00 0.00 178.44 178.86 1j0q h GLU 37 N 0.45 0.49 -0.06 1.13 4.81 -1.68 -2.97 114.58 116.75 1j0q h GLU 37 Ca 0.57 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.75 1j0q h GLU 37 Cb 1.06 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.33 1j0q h GLU 37 CO -0.51 0.32 -0.05 1.49 -0.73 0.00 0.00 179.01 179.54 1j0q h GLU 38 N 0.51 0.15 -5.93 1.92 4.22 -0.81 -3.47 114.58 111.16 1j0q h GLU 38 Ca 0.25 -0.07 -0.72 0.00 0.08 0.00 0.00 59.36 58.89 1j0q h GLU 38 Cb 0.19 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 1j0q h GLU 38 CO -0.19 0.56 1.38 1.58 -2.18 0.00 0.00 179.01 180.16 1j0q n HIS 39 N -4.75 1.25 -0.35 0.92 -0.00 0.47 -4.86 115.22 107.90 1j0q n HIS 39 Ca -0.07 0.60 0.15 0.00 0.46 0.00 0.00 57.72 58.87 1j0q n HIS 39 Cb 0.28 -2.37 0.36 0.00 -0.12 0.00 0.00 29.99 28.14 1j0q n HIS 39 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1j0q h PRO 40 N 10.22 0.65 0.00 1.57 0.11 -1.90 0.14 132.00 142.79 1j0q h PRO 40 Ca -0.15 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1j0q h PRO 40 Cb 1.38 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1j0q h PRO 40 CO 1.09 0.43 0.00 0.78 -0.21 0.00 0.00 178.00 180.09 1j0q h GLY 41 N 0.67 0.00 0.00 -0.55 0.00 -1.96 -3.48 103.07 97.75 1j0q h GLY 41 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.93 1j0q h GLY 41 CO -0.41 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.74 1j0q n GLY 42 N -0.69 2.00 0.13 4.60 0.00 0.50 -4.69 105.19 107.03 1j0q n GLY 42 Ca -0.01 -1.83 -0.10 0.00 0.00 0.00 0.00 46.02 44.08 1j0q n GLY 42 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1j0q h GLU 43 N 0.00 -0.21 -0.49 1.61 4.22 -1.80 -3.28 114.58 114.63 1j0q h GLU 43 Ca 0.00 0.01 0.09 0.00 0.08 0.00 0.00 59.36 59.55 1j0q h GLU 43 Cb 0.00 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.20 1j0q h GLU 43 CO 0.00 0.19 -0.32 0.93 -2.18 0.00 0.00 179.01 177.63 1j0q h GLU 44 N -0.92 -0.19 -0.51 1.92 5.08 -1.93 0.27 114.58 118.31 1j0q h GLU 44 Ca -0.02 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.46 1j0q h GLU 44 Cb 0.50 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 1j0q h GLU 44 CO 0.04 -0.13 0.35 -0.39 -1.00 0.00 0.00 179.01 177.88 1j0q h VAL 45 N -0.20 0.85 0.08 3.13 -1.51 -1.84 0.65 116.25 117.41 1j0q h VAL 45 Ca 0.20 -0.07 -0.29 0.00 -1.23 0.00 0.00 66.70 65.31 1j0q h VAL 45 Cb 0.54 0.61 -0.02 0.00 -2.13 0.00 0.00 31.29 30.29 1j0q h VAL 45 CO -0.60 0.04 -1.46 0.25 -1.23 0.00 0.00 177.57 174.56 1j0q h LEU 46 N 0.21 0.27 -0.42 4.19 5.85 -0.68 -3.26 115.31 121.46 1j0q h LEU 46 Ca 0.24 -0.37 -0.04 0.00 0.84 0.00 0.00 57.88 58.55 1j0q h LEU 46 Cb 0.66 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1j0q h LEU 46 CO -0.04 1.31 0.12 -0.09 -0.34 0.00 0.00 178.44 179.40 1j0q h ARG 47 N 0.05 0.66 -0.88 1.25 2.43 0.71 0.87 114.38 119.47 1j0q h ARG 47 Ca -0.21 -0.15 0.24 0.00 -0.81 0.00 0.00 59.98 59.05 1j0q h ARG 47 Cb 1.97 -0.09 -0.15 0.00 -0.42 0.00 0.00 29.97 31.28 1j0q h ARG 47 CO 0.14 0.66 0.16 1.49 -1.51 0.00 0.00 179.97 180.91 1j0q h GLU 48 N 0.54 0.14 0.06 0.20 4.57 -1.01 0.14 114.58 119.22 1j0q h GLU 48 Ca 0.13 -0.01 -0.25 0.00 -1.18 0.00 0.00 59.36 58.06 1j0q h GLU 48 Cb 0.28 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 1j0q h GLU 48 CO -0.00 0.09 -1.17 1.96 -1.18 0.00 0.00 179.01 178.71 1j0q h GLN 49 N 0.14 0.13 -7.18 1.92 1.08 -1.54 -3.48 115.11 106.18 1j0q h GLN 49 Ca 0.55 -0.22 -0.53 0.00 -1.45 0.00 0.00 58.65 57.00 1j0q h GLN 49 Cb 1.10 0.08 0.20 0.00 -0.05 0.00 0.00 27.48 28.81 1j0q h GLN 49 CO -0.72 1.08 0.11 0.00 -0.95 0.00 0.00 178.83 178.36 1j0q n ALA 50 N -2.46 -0.96 -4.12 3.87 0.00 0.49 -2.11 120.51 115.22 1j0q n ALA 50 Ca -0.05 -0.52 -0.28 0.00 0.00 0.00 0.00 53.44 52.58 1j0q n ALA 50 Cb 0.99 -2.14 -0.06 0.00 0.00 0.00 0.00 19.45 18.24 1j0q n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j0q n GLY 51 N 0.52 -0.18 3.36 0.00 0.00 0.80 -4.86 105.19 104.82 1j0q n GLY 51 Ca 0.11 0.16 0.03 0.00 0.00 0.00 0.00 46.02 46.33 1j0q n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j0q n GLY 52 N -2.23 0.18 3.75 -0.02 0.00 -0.90 -4.16 105.19 101.82 1j0q n GLY 52 Ca -0.31 -0.99 -0.38 0.00 0.00 0.00 0.00 46.02 44.34 1j0q n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1j0q s ASP 53 N -3.45 5.49 0.00 1.61 2.15 -1.25 -1.14 116.67 120.07 1j0q s ASP 53 Ca 0.27 2.73 0.05 0.00 0.43 0.00 0.00 52.55 56.03 1j0q s ASP 53 Cb -0.00 -2.63 0.08 0.00 -0.30 0.00 0.00 42.92 40.07 1j0q s ASP 53 CO -0.02 -1.42 1.02 0.00 -0.17 0.00 0.00 175.17 174.58 1j0q n ALA 54 N -0.81 2.08 0.32 3.66 0.00 0.41 -4.71 120.51 121.46 1j0q n ALA 54 Ca 0.09 -1.23 -0.18 0.00 0.00 0.00 0.00 53.44 52.12 1j0q n ALA 54 Cb 0.45 -0.53 -0.09 0.00 0.00 0.00 0.00 19.45 19.28 1j0q n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1j0q h THR 55 N 6.93 0.19 0.06 0.00 2.02 -1.88 0.13 112.91 120.35 1j0q h THR 55 Ca -0.05 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 1j0q h THR 55 Cb 1.49 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 1j0q h THR 55 CO 0.02 0.00 -0.03 -0.33 0.37 0.00 0.00 175.52 175.55 1j0q h GLU 56 N -0.94 -0.07 -0.96 6.66 5.08 -1.94 -1.73 114.58 120.69 1j0q h GLU 56 Ca -0.07 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.37 1j0q h GLU 56 Cb 0.78 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.98 1j0q h GLU 56 CO 0.03 0.05 0.61 -0.97 -1.00 0.00 0.00 179.01 177.73 1j0q h ASN 57 N -0.18 0.96 0.79 1.42 -0.73 -1.91 0.24 115.58 116.16 1j0q h ASN 57 Ca -0.01 0.02 -0.04 0.00 1.87 0.00 0.00 56.30 58.14 1j0q h ASN 57 Cb 0.15 -0.18 -0.00 0.00 0.27 0.00 0.00 38.32 38.56 1j0q h ASN 57 CO 0.01 0.60 -0.46 0.15 -0.37 0.00 0.00 177.43 177.36 1j0q h PHE 58 N 1.08 -1.22 -0.65 0.67 3.57 -0.50 -2.31 116.94 117.59 1j0q h PHE 58 Ca 0.42 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.89 1j0q h PHE 58 Cb 0.21 0.43 -0.03 0.00 2.79 0.00 0.00 35.95 39.35 1j0q h PHE 58 CO -0.01 -0.70 0.33 0.93 -2.23 0.00 0.00 178.31 176.63 1j0q h GLU 59 N -1.17 0.91 -0.58 1.11 4.39 -0.69 -1.92 114.58 116.63 1j0q h GLU 59 Ca -0.11 -0.11 0.09 0.00 0.34 0.00 0.00 59.36 59.58 1j0q h GLU 59 Cb 0.93 -0.18 -0.07 0.00 -0.10 0.00 0.00 28.75 29.33 1j0q h GLU 59 CO 0.12 0.69 0.20 0.22 -1.16 0.00 0.00 179.01 179.08 1j0q h ASP 60 N 0.91 0.18 -0.20 1.42 3.58 -0.52 0.16 116.42 121.95 1j0q h ASP 60 Ca 0.23 0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.74 1j0q h ASP 60 Cb 0.06 0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 1j0q h ASP 60 CO -0.03 0.11 0.02 1.41 -2.88 0.00 0.00 179.24 177.87 1j0q n HIS 61 N -5.02 0.70 0.00 0.28 8.25 -0.75 -4.95 115.22 113.74 1j0q n HIS 61 Ca 0.08 -0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.24 1j0q n HIS 61 Cb 0.26 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.12 1j0q n HIS 61 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1j0q n GLY 62 N 0.18 1.30 2.81 -1.41 0.00 0.56 -4.81 105.19 103.82 1j0q n GLY 62 Ca 0.10 0.03 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 1j0q n GLY 62 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1j0q n HIS 63 N 0.00 -2.94 -0.73 1.61 8.25 -1.26 -4.65 115.22 115.49 1j0q n HIS 63 Ca 0.00 1.50 -0.33 0.00 -0.26 0.00 0.00 57.72 58.63 1j0q n HIS 63 Cb 0.00 -3.07 0.15 0.00 1.12 0.00 0.00 29.99 28.19 1j0q n HIS 63 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1j0q n SER 64 N 1.38 -2.51 -0.31 0.41 7.64 -1.26 -4.40 113.62 114.57 1j0q n SER 64 Ca -0.14 -0.05 0.09 0.00 1.01 0.00 0.00 58.87 59.78 1j0q n SER 64 Cb 0.30 -0.92 0.18 0.00 -1.01 0.00 0.00 64.21 62.75 1j0q n SER 64 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1j0q n THR 65 N -4.18 -0.37 -0.03 0.44 -2.24 -1.26 -0.81 114.28 105.83 1j0q n THR 65 Ca 0.01 2.00 -0.12 0.00 -2.27 0.00 0.00 64.05 63.67 1j0q n THR 65 Cb 0.63 -2.82 -0.06 0.00 -2.10 0.00 0.00 70.33 65.97 1j0q n THR 65 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1j0q h ASP 66 N 0.00 0.18 -0.53 3.42 5.19 -1.99 0.18 116.42 122.87 1j0q h ASP 66 Ca 0.47 -0.24 -0.03 0.00 -0.62 0.00 0.00 57.03 56.60 1j0q h ASP 66 Cb 0.84 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 40.28 1j0q h ASP 66 CO -0.88 0.37 0.20 0.00 -3.12 0.00 0.00 179.24 175.81 1j0q h ALA 67 N 0.81 0.69 -0.14 3.45 0.00 -1.63 -0.01 119.26 122.43 1j0q h ALA 67 Ca 0.04 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1j0q h ALA 67 Cb 0.27 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1j0q h ALA 67 CO 0.00 0.32 -0.32 0.00 0.00 0.00 0.00 179.25 179.25 1j0q h ARG 68 N 0.72 -0.29 -0.45 0.00 -0.00 -0.61 0.12 114.38 113.87 1j0q h ARG 68 Ca 0.18 0.02 0.08 0.00 -0.50 0.00 0.00 59.98 59.76 1j0q h ARG 68 Cb 0.23 0.07 -0.10 0.00 0.00 0.00 0.00 29.97 30.17 1j0q h ARG 68 CO -0.01 -0.19 -0.36 1.49 0.00 0.00 0.00 179.97 180.89 1j0q h GLU 69 N -0.30 -0.24 -0.82 0.04 4.57 -0.48 0.27 114.58 117.61 1j0q h GLU 69 Ca 0.03 0.02 0.15 0.00 -1.18 0.00 0.00 59.36 58.37 1j0q h GLU 69 Cb 0.38 0.06 -0.09 0.00 -0.16 0.00 0.00 28.75 28.93 1j0q h GLU 69 CO -0.29 -0.16 0.40 -0.07 -1.18 0.00 0.00 179.01 177.71 1j0q h LEU 70 N -0.25 0.47 -0.96 1.64 -0.00 -0.70 0.53 115.31 116.04 1j0q h LEU 70 Ca 0.18 0.10 0.03 0.00 -0.00 0.00 0.00 57.88 58.18 1j0q h LEU 70 Cb 0.56 0.03 -0.05 0.00 -0.00 0.00 0.00 40.66 41.19 1j0q h LEU 70 CO -0.59 0.19 0.63 0.28 -0.00 0.00 0.00 178.44 178.95 1j0q h SER 71 N 0.58 1.07 -0.00 -0.43 0.02 0.13 0.19 113.55 115.11 1j0q h SER 71 Ca 0.45 -0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.40 1j0q h SER 71 Cb 0.65 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 1j0q h SER 71 CO -0.37 0.75 -0.12 0.11 -1.14 0.00 0.00 176.83 176.06 1j0q h LYS 72 N 1.25 -0.19 -1.00 3.45 1.57 -0.16 -1.55 116.57 119.93 1j0q h LYS 72 Ca 0.37 0.01 0.18 0.00 -1.87 0.00 0.00 60.65 59.34 1j0q h LYS 72 Cb -0.05 0.04 -0.10 0.00 0.08 0.00 0.00 32.23 32.20 1j0q h LYS 72 CO -0.11 -0.13 0.62 1.15 -0.57 0.00 0.00 179.45 180.41 1j0q h THR 73 N -0.20 0.75 -0.00 -0.16 2.02 -0.35 -0.19 112.91 114.78 1j0q h THR 73 Ca 0.04 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1j0q h THR 73 Cb 0.25 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.54 1j0q h THR 73 CO -0.12 0.15 -0.06 0.49 0.37 0.00 0.00 175.52 176.35 1j0q n PHE 74 N -4.72 0.00 -1.53 3.16 3.72 0.56 -4.83 117.46 113.82 1j0q n PHE 74 Ca 0.22 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 57.16 1j0q n PHE 74 Cb 0.53 -0.21 -0.05 0.00 -0.94 0.00 0.00 39.48 38.82 1j0q n PHE 74 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1j0q n ILE 75 N -1.08 0.27 0.05 4.37 5.41 -0.08 -2.87 119.36 125.43 1j0q n ILE 75 Ca 0.15 -0.37 0.04 0.00 1.00 0.00 0.00 62.75 63.57 1j0q n ILE 75 Cb 0.25 -2.15 -0.06 0.00 -0.71 0.00 0.00 39.64 36.96 1j0q n ILE 75 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 1j0q n ILE 76 N 7.50 0.00 -3.73 1.39 -5.35 -0.53 -5.00 119.36 113.64 1j0q n ILE 76 Ca 0.35 -0.20 0.00 0.00 -0.27 0.00 0.00 62.75 62.63 1j0q n ILE 76 Cb 0.35 0.42 0.00 0.00 -1.74 0.00 0.00 39.64 38.67 1j0q n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1j0q n GLY 77 N 1.91 0.78 3.29 3.28 0.00 -1.12 -4.84 105.19 108.49 1j0q n GLY 77 Ca -0.01 -0.84 -0.10 0.00 0.00 0.00 0.00 46.02 45.07 1j0q n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j0q s GLU 78 N -1.90 0.99 -0.06 1.61 2.02 -1.26 -0.85 118.70 119.25 1j0q s GLU 78 Ca 0.00 -0.71 -0.29 0.00 0.02 0.00 0.00 54.97 53.98 1j0q s GLU 78 Cb 0.00 0.43 -0.07 0.00 0.10 0.00 0.00 34.13 34.59 1j0q s GLU 78 CO 0.00 -0.37 1.93 -1.17 0.02 0.00 0.00 175.26 175.68 1j0q s LEU 79 N -2.69 4.15 0.06 1.80 2.96 0.06 -0.96 118.68 124.06 1j0q s LEU 79 Ca 0.02 2.32 -0.32 0.00 -0.22 0.00 0.00 54.13 55.94 1j0q s LEU 79 Cb 0.02 -3.53 -0.11 0.00 0.50 0.00 0.00 46.19 43.08 1j0q s LEU 79 CO -0.10 -1.25 1.87 1.57 -1.32 0.00 0.00 176.35 177.12 1j0q n HIS 80 N 8.46 2.52 0.98 5.38 -0.00 0.75 -4.82 115.22 128.50 1j0q n HIS 80 Ca 0.21 -0.16 0.11 0.00 -0.00 0.00 0.00 57.72 57.88 1j0q n HIS 80 Cb 0.43 -2.73 0.53 0.00 -0.00 0.00 0.00 29.99 28.22 1j0q n HIS 80 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1j0q n PRO 81 N 6.22 0.26 0.13 1.57 -0.02 -1.26 -1.02 135.00 140.88 1j0q n PRO 81 Ca 0.19 0.09 0.10 0.00 -2.02 0.00 0.00 63.50 61.87 1j0q n PRO 81 Cb 0.36 -1.50 0.49 0.00 -0.02 0.00 0.00 33.50 32.83 1j0q n PRO 81 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1j0q n ASP 82 N -1.32 0.54 0.00 2.55 2.03 -1.26 -4.27 116.55 114.81 1j0q n ASP 82 Ca 0.09 0.69 0.00 0.00 0.52 0.00 0.00 54.79 56.09 1j0q n ASP 82 Cb 0.19 -0.78 0.00 0.00 -0.72 0.00 0.00 41.12 39.81 1j0q n ASP 82 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1j0q n ASP 83 N -2.16 0.00 0.00 1.67 -0.08 -0.19 -5.19 116.55 110.61 1j0q n ASP 83 Ca 0.01 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.29 1j0q n ASP 83 Cb 0.13 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.59 1j0q n ASP 83 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86